2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl 2,2,2-Trichloroacetimidate - ≥95%(HPLC) , CAS No.86520-63-0

CAS: 86520-63-0 Cat. No.: T162627 Molecular Weight: 492.68 PubChem CID: 11092215

GRADE & PURITY ≥95%(HPLC)

Synonyms

SCHEMBL414930 | DTXSID00454862 | [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate | 2,3,4,6-Tetra-O-acetyl-a-D-galactopyranosyl trichloroacetimidate | T73013 | (2R,3S,4S,5R,6R)-2-(Acetoxymethyl)-6-(2,2,2-tric

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SCHEMBL414930 | DTXSID00454862 | [(2R, 3S, 4S, 5R, 6R)-3, 4, 5-triacetyloxy-6-(2, 2, 2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate | 2, 3, 4, 6-Tetra-O-acetyl-a-D-galactopyranosyl trichloroacetimidate | T73013 | (2R, 3S, 4S, 5R, 6R)-2-(Acetoxymethyl)-6-(2, 2, 2-tric

Specifications & Purity

≥95%(HPLC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504765984
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765984
• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
• InChIKey: IBUZGVQIKARDAF-MBJXGIAVSA-N
• INCHI: 1S/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
• PubChem CID: 11092215
• Molecular Weight: 492.68
• Reaxy-Rn: 4359546

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: O-glycosyl compounds Oxanes Monosaccharides Imidoesters Carboxylic acid esters Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Carboxylic acid ester - Imido ester - Acetal - Carboximidic acid derivative - Oxacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Alkyl halide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: soluble in Chloroform, Dichloromethane, Ethyl Acetate
• Sensitivity: Heat sensitive
• Specific Rotation[α]: 112° (C=1,CHCl3)
• Melt Point(°C): 122 °C
• Molecular Weight: 492.700 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 491.015 Da
• Monoisotopic Mass: 491.015 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 695.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1